N-(4-amino-2-chlorophenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide

C15H22ClN3O — CID 43588026

IUPACN-(4-amino-2-chlorophenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide
SMILESCCCN(CC(=O)Nc1ccc(N)cc1Cl)CC1CC1
InChIInChI=1S/C15H22ClN3O/c1-2-7-19(9-11-3-4-11)10-15(20)18-14-6-5-12(17)8-13(14)16/h5-6,8,11H,2-4,7,9-10,17H2,1H3,(H,18,20)
InChIKeyHBJYDQZWYKJYAJ-UHFFFAOYSA-N
MW295.81 g/mol
LogP2.98
Rot. Bonds7

About N-(4-amino-2-chlorophenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide

N-(4-amino-2-chlorophenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide (PubChem CID 43588026) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide
PubChem CID43588026
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC NameN-(4-amino-2-chlorophenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide
SMILESCCCN(CC(=O)Nc1ccc(N)cc1Cl)CC1CC1
InChIInChI=1S/C15H22ClN3O/c1-2-7-19(9-11-3-4-11)10-15(20)18-14-6-5-12(17)8-13(14)16/h5-6,8,11H,2-4,7,9-10,17H2,1H3,(H,18,20)
InChIKeyHBJYDQZWYKJYAJ-UHFFFAOYSA-N
XLogP2.98
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-2-chlorophenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide
CID 63955922
N-(2,4-dichlorophenyl)-2-[piperidin-4-ylmethyl(propyl)amino]acetamide
CID 119929563
N-(2,4-dichlorophenyl)-2-[piperidin-4-ylmethyl(propyl)amino]acetamide;hydrochloride
CID 119929562
N-(3-amino-4-chlorophenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide
CID 43588022
N-(4-chloro-2-methylphenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide
CID 78821176
2-[[2-[cyclopropylmethyl(methyl)amino]-2-oxoethyl]-propylamino]-N-(2,4-dichlorophenyl)acetamide
CID 60502016
N-(4-amino-2-chlorophenyl)-4-(dipropylamino)butanamide
CID 16778958
N-(4-amino-2-chlorophenyl)-3-[cyclopentylmethyl(methyl)amino]propanamide
CID 63633289
2-[cyclopropylmethyl(ethyl)amino]-N-(2,4,5-trichlorophenyl)acetamide
CID 86946248
2-[[2-(4-amino-2-chloroanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)amino]acetamide
CID 62921849
N-(3-amino-4-fluorophenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide
CID 43587980
N-(4-amino-2-chlorophenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
CID 79384076

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide (CID 43588026) is N-(4-amino-2-chlorophenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide is CCCN(CC(=O)Nc1ccc(N)cc1Cl)CC1CC1.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide?
The InChIKey is HBJYDQZWYKJYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-2-7-19(9-11-3-4-11)10-15(20)18-14-6-5-12(17)8-13(14)16/h5-6,8,11H,2-4,7,9-10,17H2,1H3,(H,18,20).
What are the key properties of N-(4-amino-2-chlorophenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide?
N-(4-amino-2-chlorophenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide has a molecular weight of 295.81 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-chlorophenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide is sourced from PubChem (CID 43588026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).